methyl 4-[3-(5-ethanoyl-2-phenylmethoxy-phenyl)propyl]benzoate; propyl benzoate

Systemtic Name: methyl 4-[3-(5-ethanoyl-2-phenylmethoxy-phenyl)propyl]benzoate; propyl benzoate Openeye Name: methyl 4-[3-(5-acetyl-2-benzyloxy-phenyl)propyl]benzoate; propyl benzoate CAS Name: 4-[3-(5-acetyl-2-phenylmethoxyphenyl)propyl]benzoic acid methyl ester; benzoic acid propyl ester IUPAC Name: methyl 4-[3-(5-acetyl-2-phenylmethoxyphenyl)propyl]benzoate; propyl benzoate Traditional Name: 4-[3-(5-acetyl-2-benzoxy-phenyl)propyl]benzoic acid methyl ester; benzoic acid propyl ester Formula: C36H38O6 MolecularWeight: 566.68332

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1.CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1.CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H26O4.C10H12O2/c1-19(27)23-15-16-25(30-18-21-7-4-3-5-8-21)24(17-23)10-6-9-20-11-13-22(14-12-20)26(28)29-2;1-2-8-12-10(11)9-6-4-3-5-7-9/h3-5,7-8,11-17H,6,9-10,18H2,1-2H3;3-7H,2,8H2,1H3